Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-757218

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-757218
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 6
  • Element list: ['K', 'Na', 'H', 'Pd', 'I', 'O']
  • Chemical System: H-I-K-Na-O-Pd
  • Density: 2.8337844321159107
  • Atomic Density: 0.08904708145828143
  • Unit Cell Volume: 527.8106730765736
  • Molar Volume: 6.762872697654188
  • Full Formula: K4 Na2 H18 Pd1 I2 O20
  • Reduced Formula: K4Na2H18Pd(IO10)2
  • Formula Anonymous: AB2C2D4E18F20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -239.66805865
  • Final energy per atom: -5.099320396808511
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.